6-fluorothian-2-ol

C5H9FOS — CID 174527317

IUPAC6-fluorothian-2-ol
SMILESOC1CCCC(F)S1
InChIInChI=1S/C5H9FOS/c6-4-2-1-3-5(7)8-4/h4-5,7H,1-3H2
InChIKeyQQHFOEITOCNSRX-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.52
Rot. Bonds

About 6-fluorothian-2-ol

6-fluorothian-2-ol (PubChem CID 174527317) has the molecular formula C5H9FOS and a molecular weight of 136.19 g/mol. Its IUPAC name is 6-fluorothian-2-ol.

Molecular Properties

Compound Name6-fluorothian-2-ol
PubChem CID174527317
Molecular FormulaC5H9FOS
Molecular Weight136.19 g/mol
Exact Mass136.04
IUPAC Name6-fluorothian-2-ol
SMILESOC1CCCC(F)S1
InChIInChI=1S/C5H9FOS/c6-4-2-1-3-5(7)8-4/h4-5,7H,1-3H2
InChIKeyQQHFOEITOCNSRX-UHFFFAOYSA-N
XLogP1.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydrothiopyran-3-ol
CID 90725
(Thian-2-yl)methanol
CID 70090209
Thian-2-ol
CID 14959631
[(2R,5S)-5-fluorothiolan-2-yl]methanol
CID 57166691
5-(Trifluoromethylsulfanyl)pentan-1-ol
CID 116627276
(3-Fluorothiolan-2-yl)methanol
CID 138648461
[(2S,4S)-4-fluorothiolan-2-yl]methanol
CID 146516477
[(2S,4R)-4-fluorothiolan-2-yl]methanol
CID 146516478
3,4,5-Trifluorothian-2-ol
CID 175058582
(r)-3-Hydroxytetrahydrothiapyran
CID 7058058
3-(2-Fluoroethylsulfanyl)butan-1-ol
CID 79035558
3-(3-Fluoropropylsulfanyl)butan-1-ol
CID 81114841

Frequently Asked Questions

What is the IUPAC name of 6-fluorothian-2-ol?
The IUPAC name of 6-fluorothian-2-ol (CID 174527317) is 6-fluorothian-2-ol.
What is the SMILES notation for 6-fluorothian-2-ol?
The canonical SMILES for 6-fluorothian-2-ol is OC1CCCC(F)S1.
What is the InChIKey of 6-fluorothian-2-ol?
The InChIKey is QQHFOEITOCNSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FOS/c6-4-2-1-3-5(7)8-4/h4-5,7H,1-3H2.
What are the key properties of 6-fluorothian-2-ol?
6-fluorothian-2-ol has a molecular weight of 136.19 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorothian-2-ol is sourced from PubChem (CID 174527317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).